N-cyclohexyl-2-[8-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]ethanamide

Systemtic Name: N-cyclohexyl-2-[8-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]ethanamide Openeye Name: N-cyclohexyl-2-[7-hydroxy-8-(hydroxymethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide CAS Name: N-cyclohexyl-2-[7-hydroxy-8-(hydroxymethyl)-2-[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide IUPAC Name: N-cyclohexyl-2-[7-hydroxy-8-(hydroxymethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide Traditional Name: N-cyclohexyl-2-[7-hydroxy-2-[[2-(4-methoxyphenyl)acetyl]amino]-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]acetamide Formula: C31H43N3O5S MolecularWeight: 569.75522

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NC4CCCCC4)N=C(S3)NC(=O)CC5=CC=C(C=C5)OC)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NC4CCCCC4)N=C(S3)NC(=O)CC5=CC=C(C=C5)OC)(C)CO)O

InChI

InChI=1S/C31H43N3O5S/c1-30-14-13-25(36)31(2,18-35)24(30)17-23-28(22(30)16-27(38)32-20-7-5-4-6-8-20)34-29(40-23)33-26(37)15-19-9-11-21(39-3)12-10-19/h9-12,20,22,24-25,35-36H,4-8,13-18H2,1-3H3,(H,32,38)(H,33,34,37)